2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C21H22N2O6S — CID 4908395

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C21H22N2O6S/c1-13-11-20(25)29-21-14(2)18(8-7-17(13)21)28-12-19(24)23-10-9-15-3-5-16(6-4-15)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyVBTZSIKYNWSHLO-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.79
Rot. Bonds7

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 4908395) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID4908395
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C21H22N2O6S/c1-13-11-20(25)29-21-14(2)18(8-7-17(13)21)28-12-19(24)23-10-9-15-3-5-16(6-4-15)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27)
InChIKeyVBTZSIKYNWSHLO-UHFFFAOYSA-N
XLogP1.79
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 4908395) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VBTZSIKYNWSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-13-11-20(25)29-21-14(2)18(8-7-17(13)21)28-12-19(24)23-10-9-15-3-5-16(6-4-15)30(22,26)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)(H2,22,26,27).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 4908395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).